Computer data banks

The RMDB consists of two mayor sections computer data storage and retrieval system, and backup microfilm data bank file. The computer data storage and retrieval system is used for die standard reliability and maintainability data listing, special calculations, and searches. This data bank system has been established to facilitate remote terminal access compatible with the GIDEP remote terminal programs. The microfilm data bank file is used for storage and distribution of supplier s documents, failure analysis curves, description of methods used in the collection of the data, and additional background information too extensive to include in the computer data bank. 

In 1988 the Design Institute for Physical Property Data of the American Institute of Chemical Engineers established Project 881 to develop a Handbook of Polymer Solution Thermodynamics. In the area of polymer solutions, the stated purposes were (1) provide an evaluated depository of data, (2) evaluate and extend current models for polymers in both organic and aqueous, solvents, (3) develop improved models, and (4) provide a standard source of these results in a computer data bank and a how-to handbook with accompanying computer software. During the four years of this project most of these objectives have been met and the results are presented in this Handbook. 

Pattern recognition cannot be done well without a data bank, which can be defined as a storage system. However, it is necessary for a bank to accumulate data continuously and to be updated to operate efficiently. The incorporation of a data bank in a computer makes analytical instruments more reliable, especially if the data in the bank are kept updated. Teleanalysis needs a reliable data processing system. It automatically compares the data processing with the data contained in the computer data bank. Thus, when using the chemometrics and a computer with a data bank, the reliability of data processing can be of maximum value. 

In fact, the entire cancer scene should be entered (objeetively) into a computer data bank for analysis. This ineludes the type of cancer, the treatment or therapy, the successes, the failures, the life extensions, and all other variables or parameters of interest, not only for eonventional treatments as obtained from the NCI and ACS, but especially for alternatives. (In this regard, the M.D. Anderson Cancer Center in Houston has made a stab at compiling such information.)... 

The data are then sent to one of the four Data Centres where all measured data are stored in a computer data bank in an internationally agreed exchange format, EXFOR. The... 

Using computer programs compiicates the problem because the calculation accuracy is never given for commercial reasons. Furthermore, the ways in which the methods are executed are not explicit and the data banks are often considered secret and inaccessible. 

F.C. Bernstein, T.F. Koetzle, G.J.B. Williams, E. Meyer, M.D. Bryce, J.R. Rogers, O. Kennard, T. Shikanouchi and M. Tasumi, The protein data bank A computer-based archival file for macromolecular structures, J. Mol. Biol. 112 (1977), 535-542. 

Bernstein F C, T F Koetzle, G J B Williams, E Meyer, M D Bryce, J R Rogers, O Kennard, T Shikanouchi and M Tasumi 1977. The Protein Data Bank A Computer-Based Archival File for Macromolecular Structures. Journal of Molecular Biology 112 535-542. 

At the time of a computer mn of a simulation, it is desirable to store only the parameters for those particular components involved in the simulation, and so this set of basic data is normally copied over from the permanent system parameters data bank into mn-time data locations. In typical flow-sheeting problems this involves the collection of particular parameters for 5 to 20 components from a data bank with extensive sets of data for up to several thousand components. 

This requirement of a physical property system is generally accommodated by enabling the user to create the equivalent of the permanent system data bank by expHcitly entering data in the same format. Such private data banks can be used independently or in conjunction with the system data bank. Data supphed in this way normally require that the user has access to expertise in physical property data and possibly in computer use as well. In these circumstances the user may also wish to provide data in tabular or polynomial form for use by an appropriate set of interpolative point generation routines. This facihty is shown at the top right of Figure 5. 

When the kinetics are unknown, still-useful information can be obtained by finding equilibrium compositions at fixed temperature or adiabatically, or at some specified approach to the adiabatic temperature, say within 25°C (45°F) of it. Such calculations require only an input of the components of the feed and produc ts and their thermodynamic properties, not their stoichiometric relations, and are based on Gibbs energy minimization. Computer programs appear, for instance, in Smith and Missen Chemical Reaction Equilibrium Analysis Theory and Algorithms, Wiley, 1982), but the problem often is laborious enough to warrant use of one of the several available commercial services and their data banks. Several simpler cases with specified stoichiometries are solved by Walas Phase Equilibiia in Chemical Engineering, Butterworths, 1985). 

PC Bernstein, TP Koetzle, GIB Williams, EE Meyer, MD Brice, JR Rodgers, O Kennard, T Shimanouchi, M Tasumi. Protein Data Bank Computer based archival file for macromolecular structure. J Mol Biol 112 535-542, 1977. 

Bernstein, F.C., et al. The protein data bank a computer-based archival file for macromolecular structures. 

The ERDS attempts to establish a uniform method of encoding the types of data submitted from the various entities. Inconsistencies of detail are monitored automatically by the data bank computer services. 

Currently thousands of system combinations have been programmed on the ARRADCOM s CDC 6600 computer with additions and updates made as received. The program is being enlarged to include reactivity with hydraulic fluids, lubricants, metals, etc. Another data bank-maintained is a Hazard Failure program, which is aimed at warning users about potential problems... 

Data Bank (PDB) [56], Computational chemists recognized that these compilations of 3D molecular structures would prove very useful, especially as more pharmaceutically relevant compounds were deposited. The CSD was supported by subscribers, including pharmaceutical companies. On the other hand, the PDB was supported by American taxpayers. 

Bernstein FC, Koetzle TF, Williams GJB, Meyer EF Jr., Brice MD, Rodgers JR, Kennard O, Shimanouchi T, Tasumi M. The Protein Data Bank A computer-based archival file for macromolecular structures. J Mol Biol 1977 112 535-42. 

In general, the only problem in the scale-up of distillation is to obtain reliable vapour-liquid equilibrium (VLB) data. Computer programs cover the vast majority of physical systems and data banks for VLB are included in these programs. However, VLB data are not available for... 

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